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Home > Nitro Compounds > 84564-22-7
84564-22-7 | p-Nitrophenyl 2-Acetamido-2-deoxy-3,6-di-O-benzoyl-β-D-glucopyranoside
CAS No: 84564-22-7 Catalog No: AG004UPZ MDL No:
Product Description
Catalog Number:
AG004UPZ
Chemical Name:
p-Nitrophenyl 2-Acetamido-2-deoxy-3,6-di-O-benzoyl-β-D-glucopyranoside
CAS Number:
84564-22-7
Molecular Formula:
C28H26N2O10
Molecular Weight:
550.5134
IUPAC Name:
[5-acetamido-4-benzoyloxy-3-hydroxy-6-(4-nitrophenoxy)oxan-2-yl]methyl benzoate
InChI:
InChI=1S/C28H26N2O10/c1-17(31)29-23-25(40-27(34)19-10-6-3-7-11-19)24(32)22(16-37-26(33)18-8-4-2-5-9-18)39-28(23)38-21-14-12-20(13-15-21)30(35)36/h2-15,22-25,28,32H,16H2,1H3,(H,29,31)
InChI Key:
PGMLFNAQJLVCQA-UHFFFAOYSA-N
SMILES:
CC(=O)NC1C(Oc2ccc(cc2)[N+](=O)[O-])OC(C(C1OC(=O)c1ccccc1)O)COC(=O)c1ccccc1
Properties
Complexity:
875
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.159g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
550.52g/mol
Monoisotopic Mass:
550.159g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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